{
  "schema": "ferrofinder.endpoint_parent_recovery.v4_variable_cell",
  "status": "complete",
  "input_atom_count": 5,
  "input_formula": "O3PbTi",
  "input_spacegroup": "P4mm",
  "input_pointgroup": "4mm",
  "input_is_polar_point_group": true,
  "input_energy_eV": -37.15992100010329,
  "input_cartesian_polarization_e_A2": [
    -4.470127768548265e-20,
    -8.381180007589142e-19,
    0.0722771789496107
  ],
  "input_reduced_polarization": [
    -7.949396764037008e-19,
    -1.4904568433125183e-17,
    1.0829032148245183
  ],
  "input_formal_targets": [
    {
      "orbit_id": 0,
      "representative_formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        1.0
      ]
    },
    {
      "orbit_id": 1,
      "representative_formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        1.5
      ]
    },
    {
      "orbit_id": 2,
      "representative_formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.0,
        0.5,
        1.0
      ]
    },
    {
      "orbit_id": 3,
      "representative_formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.0,
        0.5,
        1.5
      ]
    },
    {
      "orbit_id": 4,
      "representative_formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_reduced_polarization": [
        0.5,
        0.5,
        1.0
      ]
    },
    {
      "orbit_id": 5,
      "representative_formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "target_reduced_polarization": [
        0.5,
        0.5,
        1.5
      ]
    }
  ],
  "parent_candidates": [
    {
      "candidate_id": "inversion_parent_endpoint_00",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "P4/mmm",
      "spacegroup_number": 123,
      "pointgroup": "4/mmm",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 1.4248485667065923e-17,
      "parent_symmetrization_rmsd_A": 0.40108522079167425,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -36.01106434881402,
      "reduced_polarization": [
        -3.4549804401703908e-18,
        -7.407584587668856e-18,
        -1.1670910184692276e-17
      ],
      "cartesian_polarization_e_A2": [
        -1.9428145888083228e-19,
        -4.1654543792569154e-19,
        -7.789620091399685e-19
      ],
      "ranking_score": 0.4010852207916743
    },
    {
      "candidate_id": "inversion_parent_endpoint_01",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "P2/m",
      "spacegroup_number": 10,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 2.215067963549496e-15,
      "parent_symmetrization_rmsd_A": 0.7708359650789197,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -27.759658070473268,
      "reduced_polarization": [
        -2.0723058661405875e-15,
        -2.4568925801095724e-18,
        7.823480325158816e-16
      ],
      "cartesian_polarization_e_A2": [
        -1.1653050252905178e-16,
        -1.3815669380566429e-19,
        5.2216955285509365e-17
      ],
      "ranking_score": 0.7708359650789242
    },
    {
      "candidate_id": "inversion_parent_endpoint_02",
      "source": "same_species_inversion_center_projection_from_endpoint",
      "spacegroup": "P2/m",
      "spacegroup_number": 10,
      "pointgroup": "2/m",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        0.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 2.4765064835578963e-15,
      "parent_symmetrization_rmsd_A": 0.7708359650789197,
      "parent_cell_rmsd_A": 0.0,
      "energy_eV": -27.759658052581504,
      "reduced_polarization": [
        -2.198403184435058e-18,
        -2.438006901341868e-15,
        -4.3497342348373343e-16
      ],
      "cartesian_polarization_e_A2": [
        -1.236212433837242e-19,
        -1.3709470885770798e-16,
        -2.903182069927934e-17
      ],
      "ranking_score": 0.7708359650789247
    },
    {
      "candidate_id": "bec_projection_00",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P4mm",
      "spacegroup_number": 99,
      "pointgroup": "4mm",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        1.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 0.00022569152771079182,
      "parent_symmetrization_rmsd_A": 0.026448726612956802,
      "parent_cell_rmsd_A": 0.0108902067912667,
      "energy_eV": -37.104822355825235,
      "reduced_polarization": [
        -8.240780083420083e-16,
        4.845340747945114e-16,
        0.9997743084722892
      ],
      "cartesian_polarization_e_A2": [
        -8.026103201493252e-18,
        1.0311467905957303e-16,
        0.06673195975422466
      ],
      "ranking_score": 0.5296226613661951
    },
    {
      "candidate_id": "inversion_parent_bec_00_00",
      "source": "same_species_inversion_center_projection_after_BEC",
      "spacegroup": "P4/mmm",
      "spacegroup_number": 123,
      "pointgroup": "4/mmm",
      "has_inversion": true,
      "is_polar_point_group": false,
      "nonpolar_parent_hypothesis": true,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        1.0
      ],
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "target_residual": 9.560066184206677e-16,
      "parent_symmetrization_rmsd_A": 0.4010852207916749,
      "parent_cell_rmsd_A": 0.0108902067912667,
      "energy_eV": -35.97990444371732,
      "reduced_polarization": [
        3.1991640767860943e-16,
        -1.5080199382343071e-16,
        -7.942936755870603e-16
      ],
      "cartesian_polarization_e_A2": [
        1.793288345454152e-17,
        -8.453191255823433e-18,
        -5.3016739021134813e-17
      ],
      "ranking_score": 0.40380777248949346
    },
    {
      "candidate_id": "bec_projection_01",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "P4mm",
      "spacegroup_number": 99,
      "pointgroup": "4mm",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.0,
        1.5
      ],
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "target_residual": 0.0001396421488182309,
      "parent_symmetrization_rmsd_A": 0.15409734953302837,
      "parent_cell_rmsd_A": 0.066086156464522,
      "energy_eV": -36.08513617338907,
      "reduced_polarization": [
        2.7611735066265456e-15,
        -2.112192924855404e-15,
        1.4998603578511818
      ],
      "cartesian_polarization_e_A2": [
        -1.9693663220200118e-16,
        -8.29192780756457e-16,
        0.1000773935369125
      ],
      "ranking_score": 0.6708981729467953
    },
    {
      "candidate_id": "bec_projection_02",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Pm",
      "spacegroup_number": 6,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.5,
        1.0
      ],
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "target_residual": 5.1275979132957485e-06,
      "parent_symmetrization_rmsd_A": 0.15386640555367853,
      "parent_cell_rmsd_A": 0.010711034304086708,
      "energy_eV": -36.94281980481237,
      "reduced_polarization": [
        -1.0979037024703109e-15,
        0.4999997752168854,
        1.0000051226685343
      ],
      "cartesian_polarization_e_A2": [
        -6.925525503999016e-17,
        0.027977460179601826,
        0.06667330395396563
      ],
      "ranking_score": 0.6565544193255268
    },
    {
      "candidate_id": "bec_projection_03",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Pm",
      "spacegroup_number": 6,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.0,
        0.5,
        1.5
      ],
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "target_residual": 0.000237936329082303,
      "parent_symmetrization_rmsd_A": 0.24928178324514527,
      "parent_cell_rmsd_A": 0.1021982198458748,
      "energy_eV": -34.96204648439048,
      "reduced_polarization": [
        2.142511572338882e-16,
        0.49998421949810434,
        1.4997625875478053
      ],
      "cartesian_polarization_e_A2": [
        -4.735358060134898e-16,
        0.028546227862475897,
        0.09993427147912363
      ],
      "ranking_score": 0.7753072108647786
    },
    {
      "candidate_id": "bec_projection_04",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cm",
      "spacegroup_number": 8,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.5,
        0.5,
        1.0
      ],
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "target_residual": 0.0002314692377670618,
      "parent_symmetrization_rmsd_A": 0.22716484038904827,
      "parent_cell_rmsd_A": 0.02801878496402463,
      "energy_eV": -36.656946792861596,
      "reduced_polarization": [
        0.49985110474661915,
        0.4998511047548205,
        0.9999038833130198
      ],
      "cartesian_polarization_e_A2": [
        0.028092516925114726,
        0.028092516927769567,
        0.06656408020467357
      ],
      "ranking_score": 0.7346324751055886
    },
    {
      "candidate_id": "bec_projection_05",
      "source": "MACEField_BEC_backprojection",
      "spacegroup": "Cm",
      "spacegroup_number": 8,
      "pointgroup": "m",
      "has_inversion": false,
      "is_polar_point_group": true,
      "nonpolar_parent_hypothesis": false,
      "symmetry_tolerance_A": null,
      "target_reduced_polarization": [
        0.5,
        0.5,
        1.5
      ],
      "formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "target_residual": 2.0604625972353106e-05,
      "parent_symmetrization_rmsd_A": 0.30658459863931,
      "parent_cell_rmsd_A": 0.142841351243511,
      "energy_eV": -34.14257357027447,
      "reduced_polarization": [
        0.5000045235832472,
        0.5000045235838828,
        1.4999804136528438
      ],
      "cartesian_polarization_e_A2": [
        0.028731974536960178,
        0.028731974537006856,
        0.09972541241661469
      ],
      "ranking_score": 0.8423361457021324
    }
  ],
  "formal_branches": [
    {
      "orbit_id": 0,
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        1.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "branch_aligned_reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "target_residual": 0.08290321482451835,
            "energy_eV": -37.15992100010329,
            "max_atomic_step_A": 0.022138682445777005,
            "max_log_strain_component": 0.0031829317788810217,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0031880026849243,
              0.9999765638936879,
              0.9999765638806837
            ],
            "cell_volume_ratio": 1.003140981581517,
            "cell_rmsd_from_input_A": 0.0108902067912667
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -8.240780083420083e-16,
              4.845340747945114e-16,
              0.9997743084722892
            ],
            "branch_aligned_reduced_polarization": [
              -8.240780083420083e-16,
              4.845340747945114e-16,
              0.9997743084722892
            ],
            "target_residual": 0.00022569152771079182,
            "energy_eV": -37.104822355825235
          }
        ],
        "iterations": 1
      },
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "P4/mmm",
        "spacegroup_number": 123,
        "pointgroup": "4/mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 1.4248485667065923e-17,
        "parent_symmetrization_rmsd_A": 0.40108522079167425,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -36.01106434881402,
        "reduced_polarization": [
          -3.4549804401703908e-18,
          -7.407584587668856e-18,
          -1.1670910184692276e-17
        ],
        "cartesian_polarization_e_A2": [
          -1.9428145888083228e-19,
          -4.1654543792569154e-19,
          -7.789620091399685e-19
        ],
        "ranking_score": 0.4010852207916743
      },
      "branch_status": "sampled",
      "incoming": {
        "reached": true,
        "construction": "variable_cell_linear_interpolation",
        "continuation_fractions": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "energies_eV": [
          -37.15992100010329,
          -37.04009663644901,
          -36.853020226841494,
          -36.64140401473615,
          -36.43761978802806,
          -36.26027176962485,
          -36.12374947593128,
          -36.03935756893583,
          -36.01106434881402
        ],
        "cartesian_polarizations_e_A2": [
          [
            -7.95111716572498e-18,
            -7.905541404154986e-18,
            0.07227717894961065
          ],
          [
            -2.9994992011546426e-17,
            -2.947307915300761e-17,
            0.06169696610662789
          ],
          [
            2.8516117106002373e-18,
            2.994856474504351e-18,
            0.05097471143764947
          ],
          [
            -4.206748655843619e-17,
            -4.2465749217239354e-17,
            0.04067527686663033
          ],
          [
            -2.5061762542842547e-17,
            -2.5177460140892824e-17,
            0.03118305987018138
          ],
          [
            4.215991387170579e-18,
            4.838830941369661e-18,
            0.022603027202018296
          ],
          [
            1.2911606556613851e-17,
            1.344016951563694e-17,
            0.014757753713703668
          ],
          [
            -1.0459933947612479e-17,
            -9.684838128852515e-18,
            0.007315186866429343
          ],
          [
            -2.809928075822439e-17,
            -2.768582862235054e-17,
            1.7503222317801817e-18
          ]
        ],
        "raw_reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045306e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419426e-17,
            8.605075518800756e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.7222912826656299e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.6224454237415888e-17
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045293e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419428e-17,
            8.605075518800759e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.72229128266563e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.7755575615628914e-17
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.08290321482451768
          ],
          [
            -5.551115123125783e-16,
            -4.996003610813204e-16,
            -0.07561634373740933
          ],
          [
            0.0,
            0.0,
            -0.23626406435886382
          ],
          [
            -7.216449660063518e-16,
            -7.771561172376096e-16,
            -0.39057682213275413
          ],
          [
            -4.440892098500626e-16,
            -4.440892098500626e-16,
            0.46720467334546867
          ],
          [
            1.1102230246251565e-16,
            1.1102230246251565e-16,
            0.338653101539784
          ],
          [
            2.220446049250313e-16,
            2.220446049250313e-16,
            0.2211101646800543
          ],
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.10960083791069297
          ],
          [
            -4.996003610813204e-16,
            -4.996003610813204e-16,
            0.0
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -36.01106434881402,
          -36.03935756893583,
          -36.12374947593129,
          -36.26027176962484,
          -36.43761978802805,
          -36.641404014736146,
          -36.85302022684149,
          -37.04009663644902,
          -37.159921000103296
        ],
        "cartesian_polarizations_e_A2": [
          [
            -3.3999938141168896e-17,
            -3.3865578168773174e-17,
            2.554121046300818e-17
          ],
          [
            -1.0527607663461541e-17,
            -1.1141434224345523e-17,
            -0.007315186866429341
          ],
          [
            3.4288446086719584e-18,
            6.211789125592854e-18,
            -0.014757753713703404
          ],
          [
            1.456577826849779e-17,
            1.4288835813447358e-17,
            -0.02260302720201835
          ],
          [
            -2.546385088058582e-17,
            -2.5757773742760767e-17,
            -0.031183059870181416
          ],
          [
            -6.864967035970156e-17,
            -6.9681052601222e-17,
            -0.04067527686663038
          ],
          [
            2.241247871476203e-18,
            2.145302454984897e-18,
            -0.050974711437649464
          ],
          [
            -3.2898961630676026e-17,
            -3.2158818060184604e-17,
            -0.06169696610662771
          ],
          [
            -9.485143439807306e-18,
            -9.317575845794248e-18,
            -0.07227717894961054
          ]
        ],
        "raw_reduced_polarization": [
          [
            -6.046337201780772e-16,
            -6.022443461264144e-16,
            3.8267485426048385e-16
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602827e-17,
            1.1046658827361646e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429224e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.98569559963695e-17,
            3.815072247716996e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489345e-16,
            -1.0829032148245161
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -6.046337201780772e-16,
            -6.022443461264144e-16,
            3.8267485426048385e-16
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602828e-17,
            1.1046658827361644e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429223e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.985695599636956e-17,
            3.815072247716988e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489348e-16,
            -1.0829032148245161
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -8.580024953498335e-16,
          -8.4410783584108815e-16,
          -1.0829032148245177
        ],
        "actual_opposite_endpoint_branch_residual": 1.8306542267091605e-15
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045306e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419426e-17,
            8.605075518800756e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.7222912826656299e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.6224454237415888e-17
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602827e-17,
            1.1046658827361646e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429224e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.98569559963695e-17,
            3.815072247716996e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489345e-16,
            -1.0829032148245161
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045293e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419428e-17,
            8.605075518800759e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.72229128266563e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.7755575615628914e-17
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602828e-17,
            1.1046658827361644e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429223e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.985695599636956e-17,
            3.815072247716988e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489348e-16,
            -1.0829032148245161
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.08290321482451768
          ],
          [
            -5.551115123125783e-16,
            -4.996003610813204e-16,
            -0.07561634373740933
          ],
          [
            0.0,
            0.0,
            -0.23626406435886382
          ],
          [
            -7.216449660063518e-16,
            -7.771561172376096e-16,
            -0.39057682213275413
          ],
          [
            -4.440892098500626e-16,
            -4.440892098500626e-16,
            0.46720467334546867
          ],
          [
            1.1102230246251565e-16,
            1.1102230246251565e-16,
            0.338653101539784
          ],
          [
            2.220446049250313e-16,
            2.220446049250313e-16,
            0.2211101646800543
          ],
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.10960083791069297
          ],
          [
            -4.996003610813204e-16,
            -4.996003610813204e-16,
            0.0
          ],
          [
            -1.6653345369377348e-16,
            -2.220446049250313e-16,
            -0.10960083791069292
          ],
          [
            1.1102230246251565e-16,
            1.1102230246251565e-16,
            -0.2211101646800504
          ],
          [
            2.220446049250313e-16,
            2.220446049250313e-16,
            -0.33865310153978484
          ],
          [
            -4.440892098500626e-16,
            -4.440892098500626e-16,
            -0.46720467334546917
          ],
          [
            -1.2212453270876722e-15,
            -1.2212453270876722e-15,
            0.39057682213275347
          ],
          [
            0.0,
            0.0,
            0.23626406435886382
          ],
          [
            -6.106226635438361e-16,
            -5.551115123125783e-16,
            0.07561634373741188
          ],
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            -0.08290321482451612
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ]
    },
    {
      "orbit_id": 1,
      "formal_class": [
        0.0,
        0.0,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.0,
        1.5
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "branch_aligned_reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "target_residual": 0.41709678517548165,
            "energy_eV": -37.15992100010329,
            "max_atomic_step_A": 0.11138257178204798,
            "max_log_strain_component": 0.01601374102577649,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0001179184778481,
              1.0001179184124127,
              0.9841137972293217
            ],
            "cell_volume_ratio": 0.9843459012507892,
            "cell_rmsd_from_input_A": 0.053750545982063
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              5.747351043302605e-15,
              7.95913409582071e-15,
              1.4535394125319692
            ],
            "branch_aligned_reduced_polarization": [
              5.747351043302605e-15,
              7.95913409582071e-15,
              1.4535394125319692
            ],
            "target_residual": 0.046460587468030834,
            "energy_eV": -36.39599618068105,
            "max_atomic_step_A": 0.01839170651830188,
            "max_log_strain_component": 0.003488625693518465,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0001436090999267,
              1.0001436090202342,
              0.9806865741760824
            ],
            "cell_volume_ratio": 0.9809682653556349,
            "cell_rmsd_from_input_A": 0.06523360220812721
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              -3.589861186799973e-17,
              8.17892211918037e-16,
              1.4969672584080211
            ],
            "branch_aligned_reduced_polarization": [
              -3.589861186799973e-17,
              8.17892211918037e-16,
              1.4969672584080211
            ],
            "target_residual": 0.0030327415919788603,
            "energy_eV": -36.10486717062305,
            "max_atomic_step_A": 0.0012902809315951007,
            "max_log_strain_component": 0.0002599846408141205,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0001455236817474,
              1.0001455236009926,
              0.9804316438697618
            ],
            "cell_volume_ratio": 0.980717016598351,
            "cell_rmsd_from_input_A": 0.066086156464522
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              2.7611735066265456e-15,
              -2.112192924855404e-15,
              1.4998603578511818
            ],
            "branch_aligned_reduced_polarization": [
              2.7611735066265456e-15,
              -2.112192924855404e-15,
              1.4998603578511818
            ],
            "target_residual": 0.0001396421488182309,
            "energy_eV": -36.08513617338907
          }
        ],
        "iterations": 3
      },
      "parent": {
        "candidate_id": "bec_projection_01",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "P4mm",
        "spacegroup_number": 99,
        "pointgroup": "4mm",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          1.5
        ],
        "formal_class": [
          0.0,
          0.0,
          0.5
        ],
        "target_residual": 0.0001396421488182309,
        "parent_symmetrization_rmsd_A": 0.15409734953302837,
        "parent_cell_rmsd_A": 0.066086156464522,
        "energy_eV": -36.08513617338907,
        "reduced_polarization": [
          2.7611735066265456e-15,
          -2.112192924855404e-15,
          1.4998603578511818
        ],
        "cartesian_polarization_e_A2": [
          -1.9693663220200118e-16,
          -8.29192780756457e-16,
          0.1000773935369125
        ],
        "ranking_score": 0.6708981729467953
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 2,
      "formal_class": [
        0.0,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.0
        ],
        [
          0.5,
          0.0,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.5,
        1.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "branch_aligned_reduced_polarization": [
              -7.949396764037008e-19,
              0.0,
              1.0829032148245183
            ],
            "target_residual": 0.5068263440550819,
            "energy_eV": -37.15992100010329,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.003088500807957889,
            "step_scale": 0.9703320782588577,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.004088004649977,
              0.9999772591737317,
              0.9989866021085615
            ],
            "cell_volume_ratio": 1.0030476533320898,
            "cell_rmsd_from_input_A": 0.013397455392538025
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              -9.377297281420348e-16,
              0.47108402538058725,
              0.9188146694527086
            ],
            "branch_aligned_reduced_polarization": [
              -9.377297281420348e-16,
              0.47108402538058725,
              0.9188146694527086
            ],
            "target_residual": 0.08618115504136321,
            "energy_eV": -36.92411916951189,
            "max_atomic_step_A": 0.03329426391558353,
            "max_log_strain_component": 0.004064845413731914,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0020536293836029,
              1.0000071889945017,
              0.9969838784507828
            ],
            "cell_volume_ratio": 0.99903849586917,
            "cell_rmsd_from_input_A": 0.010627358197608341
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              8.629097819761502e-16,
              0.4987630605988563,
              0.9996855786871663
            ],
            "branch_aligned_reduced_polarization": [
              8.629097819761502e-16,
              0.4987630605988563,
              0.9996855786871663
            ],
            "target_residual": 0.001276275771166181,
            "energy_eV": -36.94404326004688,
            "max_atomic_step_A": 0.0004778094509240352,
            "max_log_strain_component": 4.087023322208536e-05,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.002047607588651,
              1.0000074899302374,
              0.9969494234547637
            ],
            "cell_volume_ratio": 0.9989982670310157,
            "cell_rmsd_from_input_A": 0.010711034304086708
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              -1.0979037024703109e-15,
              0.4999997752168854,
              1.0000051226685343
            ],
            "branch_aligned_reduced_polarization": [
              -1.0979037024703109e-15,
              0.4999997752168854,
              1.0000051226685343
            ],
            "target_residual": 5.1275979132957485e-06,
            "energy_eV": -36.94281980481237
          }
        ],
        "iterations": 3
      },
      "parent": {
        "candidate_id": "bec_projection_02",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Pm",
        "spacegroup_number": 6,
        "pointgroup": "m",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.5,
          1.0
        ],
        "formal_class": [
          0.0,
          0.5,
          0.0
        ],
        "target_residual": 5.1275979132957485e-06,
        "parent_symmetrization_rmsd_A": 0.15386640555367853,
        "parent_cell_rmsd_A": 0.010711034304086708,
        "energy_eV": -36.94281980481237,
        "reduced_polarization": [
          -1.0979037024703109e-15,
          0.4999997752168854,
          1.0000051226685343
        ],
        "cartesian_polarization_e_A2": [
          -6.925525503999016e-17,
          0.027977460179601826,
          0.06667330395396563
        ],
        "ranking_score": 0.6565544193255268
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 3,
      "formal_class": [
        0.0,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.0,
          0.5,
          0.5
        ],
        [
          0.5,
          0.0,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.0,
        0.5,
        1.5
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "branch_aligned_reduced_polarization": [
              -7.949396764037008e-19,
              0.0,
              1.0829032148245183
            ],
            "target_residual": 0.6511295786582897,
            "energy_eV": -37.15992100010329,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.012155052619494466,
            "step_scale": 0.7590389153870534,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.000289480468267,
              1.000089503442009,
              0.9877210177475702
            ],
            "cell_volume_ratio": 0.9880953737124939,
            "cell_rmsd_from_input_A": 0.0414342699111519
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              7.775691752300579e-15,
              0.32210901238567013,
              1.3228031253708383
            ],
            "branch_aligned_reduced_polarization": [
              7.775691752300579e-15,
              0.32210901238567013,
              1.3228031253708383
            ],
            "target_residual": 0.2510855150197727,
            "energy_eV": -36.675847906132994,
            "max_atomic_step_A": 0.11353612108180626,
            "max_log_strain_component": 0.014236191036199603,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0007051952637895,
              1.0001943414831658,
              0.9734567642010142
            ],
            "cell_volume_ratio": 0.9743325577429631,
            "cell_rmsd_from_input_A": 0.0888582327511181
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              1.5585495779693643e-15,
              0.48238974405026047,
              1.4644389109792413
            ],
            "branch_aligned_reduced_polarization": [
              1.5585495779693643e-15,
              0.48238974405026047,
              1.4644389109792413
            ],
            "target_residual": 0.039682643144801515,
            "energy_eV": -35.2414561462269,
            "max_atomic_step_A": 0.022762265189915552,
            "max_log_strain_component": 0.0037982620944702213,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0008005720500763,
              1.0002223144708975,
              0.9697010335045038
            ],
            "cell_volume_ratio": 0.9706931002072297,
            "cell_rmsd_from_input_A": 0.10124365010732571
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              9.046505675465995e-16,
              0.4997323993612151,
              1.4968175167101487
            ],
            "branch_aligned_reduced_polarization": [
              9.046505675465995e-16,
              0.4997323993612151,
              1.4968175167101487
            ],
            "target_residual": 0.0031937141374989452,
            "energy_eV": -34.98382239036282,
            "max_atomic_step_A": 0.0014816728849796645,
            "max_log_strain_component": 0.00029556716595430406,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.00080574842446,
              1.0002244912615226,
              0.9694115597895936
            ],
            "cell_volume_ratio": 0.970410461401076,
            "cell_rmsd_from_input_A": 0.1021982198458748
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              2.142511572338882e-16,
              0.49998421949810434,
              1.4997625875478053
            ],
            "branch_aligned_reduced_polarization": [
              2.142511572338882e-16,
              0.49998421949810434,
              1.4997625875478053
            ],
            "target_residual": 0.000237936329082303,
            "energy_eV": -34.96204648439048
          }
        ],
        "iterations": 4
      },
      "parent": {
        "candidate_id": "bec_projection_03",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Pm",
        "spacegroup_number": 6,
        "pointgroup": "m",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.5,
          1.5
        ],
        "formal_class": [
          0.0,
          0.5,
          0.5
        ],
        "target_residual": 0.000237936329082303,
        "parent_symmetrization_rmsd_A": 0.24928178324514527,
        "parent_cell_rmsd_A": 0.1021982198458748,
        "energy_eV": -34.96204648439048,
        "reduced_polarization": [
          2.142511572338882e-16,
          0.49998421949810434,
          1.4997625875478053
        ],
        "cartesian_polarization_e_A2": [
          -4.735358060134898e-16,
          0.028546227862475897,
          0.09993427147912363
        ],
        "ranking_score": 0.7753072108647786
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 4,
      "formal_class": [
        0.5,
        0.5,
        0.0
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.0
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        0.5,
        1.0
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              0.0,
              1.0829032148245183
            ],
            "target_residual": 0.7119500986924858,
            "energy_eV": -37.15992100010329,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.0021982834497645412,
            "step_scale": 0.6906473661641797,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0034089657092273,
              0.9999838138517364,
              0.9987796740173739
            ],
            "cell_volume_ratio": 1.0021682581705977,
            "cell_rmsd_from_input_A": 0.011180208833502453
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.33315127434635117,
              0.33315127456721494,
              0.9395281725499328
            ],
            "branch_aligned_reduced_polarization": [
              0.33315127434635117,
              0.33315127456721494,
              0.9395281725499328
            ],
            "target_residual": 0.24358537793952692,
            "energy_eV": -36.95971916346212,
            "max_atomic_step_A": 0.08775562747359689,
            "max_log_strain_component": 0.007274411216729384,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0021350304571763,
              1.000037376962061,
              0.9928541478650668
            ],
            "cell_volume_ratio": 0.9950111108128168,
            "cell_rmsd_from_input_A": 0.023278139949243774
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.4855768843454058,
              0.4855768844463619,
              0.983947496207573
            ],
            "branch_aligned_reduced_polarization": [
              0.4855768843454058,
              0.4855768844463619,
              0.983947496207573
            ],
            "target_residual": 0.025956413570932327,
            "energy_eV": -36.69510797163149,
            "max_atomic_step_A": 0.014652360185137644,
            "max_log_strain_component": 0.0015137922248423346,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0020943699865614,
              1.0000485237120829,
              0.9914035849956551
            ],
            "cell_volume_ratio": 0.993528158243738,
            "cell_rmsd_from_input_A": 0.02801878496402463
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.49985110474661915,
              0.4998511047548205,
              0.9999038833130198
            ],
            "branch_aligned_reduced_polarization": [
              0.49985110474661915,
              0.4998511047548205,
              0.9999038833130198
            ],
            "target_residual": 0.0002314692377670618,
            "energy_eV": -36.656946792861596
          }
        ],
        "iterations": 3
      },
      "parent": {
        "candidate_id": "bec_projection_04",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Cm",
        "spacegroup_number": 8,
        "pointgroup": "m",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          0.5,
          1.0
        ],
        "formal_class": [
          0.5,
          0.5,
          0.0
        ],
        "target_residual": 0.0002314692377670618,
        "parent_symmetrization_rmsd_A": 0.22716484038904827,
        "parent_cell_rmsd_A": 0.02801878496402463,
        "energy_eV": -36.656946792861596,
        "reduced_polarization": [
          0.49985110474661915,
          0.4998511047548205,
          0.9999038833130198
        ],
        "cartesian_polarization_e_A2": [
          0.028092516925114726,
          0.028092516927769567,
          0.06656408020467357
        ],
        "ranking_score": 0.7346324751055886
      },
      "branch_status": "awaiting_branch_sampling"
    },
    {
      "orbit_id": 5,
      "formal_class": [
        0.5,
        0.5,
        0.5
      ],
      "formal_classes_in_orbit": [
        [
          0.5,
          0.5,
          0.5
        ]
      ],
      "target_reduced_polarization": [
        0.5,
        0.5,
        1.5
      ],
      "bec_backprojection": {
        "converged_to_target": true,
        "history": [
          {
            "iteration": 0,
            "reduced_polarization": [
              -7.949396764037008e-19,
              -1.4904568433125183e-17,
              1.0829032148245183
            ],
            "branch_aligned_reduced_polarization": [
              0.0,
              0.0,
              1.0829032148245183
            ],
            "target_residual": 0.8209565933736825,
            "energy_eV": -37.15992100010329,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.009621607201956765,
            "step_scale": 0.6008344450225244,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0003825972506806,
              1.0000708477962235,
              0.9901158861426717
            ],
            "cell_volume_ratio": 0.9905648761253549,
            "cell_rmsd_from_input_A": 0.033259192115433746
          },
          {
            "iteration": 1,
            "reduced_polarization": [
              0.26017599764199595,
              0.2601759974626715,
              1.2526592695812038
            ],
            "branch_aligned_reduced_polarization": [
              0.26017599764199595,
              0.2601759974626715,
              1.2526592695812038
            ],
            "target_residual": 0.4197720110061414,
            "energy_eV": -36.826914313627576,
            "max_atomic_step_A": 0.11999999999999998,
            "max_log_strain_component": 0.01331352384056205,
            "step_scale": 0.640454531222042,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.000913336490828,
              1.000168888950052,
              0.9765989758881023
            ],
            "cell_volume_ratio": 0.977656026788122,
            "cell_rmsd_from_input_A": 0.07820752665321413
          },
          {
            "iteration": 2,
            "reduced_polarization": [
              0.3959286300663629,
              0.39592863004933326,
              1.3768116393337673
            ],
            "branch_aligned_reduced_polarization": [
              0.3959286300663629,
              0.39592863004933326,
              1.3768116393337673
            ],
            "target_residual": 0.1919298629367153,
            "energy_eV": -35.72554371736429,
            "max_atomic_step_A": 0.12,
            "max_log_strain_component": 0.01563387931570192,
            "step_scale": 0.9650742187238209,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.0016213365136253,
              1.0002840295352076,
              0.9608806755157895
            ],
            "cell_volume_ratio": 0.9627119474246131,
            "cell_rmsd_from_input_A": 0.12963269997949545
          },
          {
            "iteration": 3,
            "reduced_polarization": [
              0.49038261743793704,
              0.4903826178594071,
              1.4700905496861396
            ],
            "branch_aligned_reduced_polarization": [
              0.49038261743793704,
              0.4903826178594071,
              1.4700905496861396
            ],
            "target_residual": 0.032856708670537145,
            "energy_eV": -34.55637120990786,
            "max_atomic_step_A": 0.017669138780678408,
            "max_log_strain_component": 0.0037346666254783945,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": false,
            "strain_jacobian_frobenius_norm": 3.829370875379375,
            "cell_principal_stretches": [
              1.001767539563996,
              1.0003115366148982,
              0.9571854073650667
            ],
            "cell_volume_ratio": 0.9591759958216006,
            "cell_rmsd_from_input_A": 0.14161980090624252
          },
          {
            "iteration": 4,
            "reduced_polarization": [
              0.4996057308287503,
              0.49960573089578175,
              1.4954139963322133
            ],
            "branch_aligned_reduced_polarization": [
              0.4996057308287503,
              0.49960573089578175,
              1.4954139963322133
            ],
            "target_residual": 0.0046197755299248276,
            "energy_eV": -34.19623300316908,
            "max_atomic_step_A": 0.0020028868568758187,
            "max_log_strain_component": 0.00031778578594564847,
            "step_scale": 1.0,
            "strain_jacobian_refreshed": true,
            "strain_jacobian_frobenius_norm": 3.4350386546650564,
            "cell_principal_stretches": [
              1.001797311270032,
              1.0003072128672068,
              0.9567828989598018
            ],
            "cell_volume_ratio": 0.9587969999592778,
            "cell_rmsd_from_input_A": 0.142841351243511
          },
          {
            "iteration": 5,
            "reduced_polarization": [
              0.5000045235832472,
              0.5000045235838828,
              1.4999804136528438
            ],
            "branch_aligned_reduced_polarization": [
              0.5000045235832472,
              0.5000045235838828,
              1.4999804136528438
            ],
            "target_residual": 2.0604625972353106e-05,
            "energy_eV": -34.14257357027447
          }
        ],
        "iterations": 5
      },
      "parent": {
        "candidate_id": "bec_projection_05",
        "source": "MACEField_BEC_backprojection",
        "spacegroup": "Cm",
        "spacegroup_number": 8,
        "pointgroup": "m",
        "has_inversion": false,
        "is_polar_point_group": true,
        "nonpolar_parent_hypothesis": false,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.5,
          0.5,
          1.5
        ],
        "formal_class": [
          0.5,
          0.5,
          0.5
        ],
        "target_residual": 2.0604625972353106e-05,
        "parent_symmetrization_rmsd_A": 0.30658459863931,
        "parent_cell_rmsd_A": 0.142841351243511,
        "energy_eV": -34.14257357027447,
        "reduced_polarization": [
          0.5000045235832472,
          0.5000045235838828,
          1.4999804136528438
        ],
        "cartesian_polarization_e_A2": [
          0.028731974536960178,
          0.028731974537006856,
          0.09972541241661469
        ],
        "ranking_score": 0.8423361457021324
      },
      "branch_status": "awaiting_branch_sampling"
    }
  ],
  "sampled_polarization_branches": [
    {
      "orbit_id": 0,
      "candidate_id": "inversion_parent_endpoint_00",
      "formal_class": [
        0.0,
        0.0,
        0.0
      ],
      "construction": "MACEField-BEC-parent plus variable-cell P-N-P path and symmetric log-strain continuation beyond both polar endpoints",
      "geometry_diagnostics": {
        "collision_aware": false,
        "permutations_tested": 1,
        "selected_order": [
          0,
          1,
          2,
          3,
          4
        ],
        "endpoint_rmsd_A": 0.40108522079167425,
        "minimum_distance_A_by_image": [
          1.7555582100000002,
          1.8232576212499998,
          1.8909570324999996,
          1.9583148088863809,
          1.9500861357389139,
          1.9436619720372093,
          1.939060253042961,
          1.9362939722478887,
          1.935371
        ],
        "minimum_distance_A": 1.7555582100000002,
        "minimum_distance_floor_A": 0.0,
        "geometry_valid": true,
        "parameters": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "cell_mode": "variable_cell",
        "cell_volume_A3_by_image": [
          68.83486451040555,
          68.83486451040555,
          68.83486451040555,
          68.83486451040555,
          68.83486451040555,
          68.83486451040555,
          68.83486451040555,
          68.83486451040555,
          68.83486451040555
        ],
        "cell_deformation_log_strain_norm": 0.0
      },
      "parent_reduced_polarization": [
        -4.99700105001114e-16,
        -4.923475297702114e-16,
        2.6224454237415888e-17
      ],
      "incoming": {
        "reached": true,
        "construction": "variable_cell_linear_interpolation",
        "continuation_fractions": [
          0.0,
          0.125,
          0.25,
          0.375,
          0.5,
          0.625,
          0.75,
          0.875,
          1.0
        ],
        "energies_eV": [
          -37.15992100010329,
          -37.04009663644901,
          -36.853020226841494,
          -36.64140401473615,
          -36.43761978802806,
          -36.26027176962485,
          -36.12374947593128,
          -36.03935756893583,
          -36.01106434881402
        ],
        "cartesian_polarizations_e_A2": [
          [
            -7.95111716572498e-18,
            -7.905541404154986e-18,
            0.07227717894961065
          ],
          [
            -2.9994992011546426e-17,
            -2.947307915300761e-17,
            0.06169696610662789
          ],
          [
            2.8516117106002373e-18,
            2.994856474504351e-18,
            0.05097471143764947
          ],
          [
            -4.206748655843619e-17,
            -4.2465749217239354e-17,
            0.04067527686663033
          ],
          [
            -2.5061762542842547e-17,
            -2.5177460140892824e-17,
            0.03118305987018138
          ],
          [
            4.215991387170579e-18,
            4.838830941369661e-18,
            0.022603027202018296
          ],
          [
            1.2911606556613851e-17,
            1.344016951563694e-17,
            0.014757753713703668
          ],
          [
            -1.0459933947612479e-17,
            -9.684838128852515e-18,
            0.007315186866429343
          ],
          [
            -2.809928075822439e-17,
            -2.768582862235054e-17,
            1.7503222317801817e-18
          ]
        ],
        "raw_reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045306e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419426e-17,
            8.605075518800756e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.7222912826656299e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.6224454237415888e-17
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045293e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419428e-17,
            8.605075518800759e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.72229128266563e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.7755575615628914e-17
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.08290321482451768
          ],
          [
            -5.551115123125783e-16,
            -4.996003610813204e-16,
            -0.07561634373740933
          ],
          [
            0.0,
            0.0,
            -0.23626406435886382
          ],
          [
            -7.216449660063518e-16,
            -7.771561172376096e-16,
            -0.39057682213275413
          ],
          [
            -4.440892098500626e-16,
            -4.440892098500626e-16,
            0.46720467334546867
          ],
          [
            1.1102230246251565e-16,
            1.1102230246251565e-16,
            0.338653101539784
          ],
          [
            2.220446049250313e-16,
            2.220446049250313e-16,
            0.2211101646800543
          ],
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.10960083791069297
          ],
          [
            -4.996003610813204e-16,
            -4.996003610813204e-16,
            0.0
          ]
        ]
      },
      "reflected": {
        "reached": true,
        "construction": "reflect_displacements_about_reconstructed_parent",
        "energies_eV": [
          -36.01106434881402,
          -36.03935756893583,
          -36.12374947593129,
          -36.26027176962484,
          -36.43761978802805,
          -36.641404014736146,
          -36.85302022684149,
          -37.04009663644902,
          -37.159921000103296
        ],
        "cartesian_polarizations_e_A2": [
          [
            -3.3999938141168896e-17,
            -3.3865578168773174e-17,
            2.554121046300818e-17
          ],
          [
            -1.0527607663461541e-17,
            -1.1141434224345523e-17,
            -0.007315186866429341
          ],
          [
            3.4288446086719584e-18,
            6.211789125592854e-18,
            -0.014757753713703404
          ],
          [
            1.456577826849779e-17,
            1.4288835813447358e-17,
            -0.02260302720201835
          ],
          [
            -2.546385088058582e-17,
            -2.5757773742760767e-17,
            -0.031183059870181416
          ],
          [
            -6.864967035970156e-17,
            -6.9681052601222e-17,
            -0.04067527686663038
          ],
          [
            2.241247871476203e-18,
            2.145302454984897e-18,
            -0.050974711437649464
          ],
          [
            -3.2898961630676026e-17,
            -3.2158818060184604e-17,
            -0.06169696610662771
          ],
          [
            -9.485143439807306e-18,
            -9.317575845794248e-18,
            -0.07227717894961054
          ]
        ],
        "raw_reduced_polarization": [
          [
            -6.046337201780772e-16,
            -6.022443461264144e-16,
            3.8267485426048385e-16
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602827e-17,
            1.1046658827361646e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429224e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.98569559963695e-17,
            3.815072247716996e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489345e-16,
            -1.0829032148245161
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -6.046337201780772e-16,
            -6.022443461264144e-16,
            3.8267485426048385e-16
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602828e-17,
            1.1046658827361644e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429223e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.985695599636956e-17,
            3.815072247716988e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489348e-16,
            -1.0829032148245161
          ]
        ],
        "gauge_integer_shift": [
          0,
          0,
          0
        ],
        "expected_opposite_endpoint_reduced_polarization": [
          -8.580024953498335e-16,
          -8.4410783584108815e-16,
          -1.0829032148245177
        ],
        "actual_opposite_endpoint_branch_residual": 1.8306542267091605e-15
      },
      "pnp_branch": {
        "construction": "incoming_path_concatenated_with_parent_reflection",
        "reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045306e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419426e-17,
            8.605075518800756e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.7222912826656299e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.6224454237415888e-17
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602827e-17,
            1.1046658827361646e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429224e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.98569559963695e-17,
            3.815072247716996e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489345e-16,
            -1.0829032148245161
          ]
        ],
        "unwrapped_reduced_polarization": [
          [
            -1.4139771465239454e-16,
            -1.4058722369933458e-16,
            1.0829032148245177
          ],
          [
            -5.334122530268086e-16,
            -5.241308798679265e-16,
            0.9243836562625908
          ],
          [
            5.0711286294837823e-17,
            5.3258661944045293e-17,
            0.7637359356411363
          ],
          [
            -7.481019756788909e-16,
            -7.551844307116133e-16,
            0.6094231778672459
          ],
          [
            -4.456827732327609e-16,
            -4.477402672444957e-16,
            0.46720467334546867
          ],
          [
            7.497456454419428e-17,
            8.605075518800759e-17,
            0.338653101539784
          ],
          [
            2.2961196792144202e-16,
            2.390116023247614e-16,
            0.22111016468005432
          ],
          [
            -1.8601294947369173e-16,
            -1.72229128266563e-16,
            0.10960083791069294
          ],
          [
            -4.99700105001114e-16,
            -4.923475297702114e-16,
            2.7755575615628914e-17
          ],
          [
            -1.87216416680079e-16,
            -1.981323258652784e-16,
            -0.10960083791069293
          ],
          [
            6.097643657602828e-17,
            1.1046658827361644e-16,
            -0.22111016468005038
          ],
          [
            2.590287272054441e-16,
            2.5410375510175555e-16,
            -0.33865310153978484
          ],
          [
            -4.52833261756608e-16,
            -4.580602028429223e-16,
            -0.46720467334546917
          ],
          [
            -1.220822973449034e-15,
            -1.2391644327489558e-15,
            -0.6094231778672465
          ],
          [
            3.985695599636956e-17,
            3.815072247716988e-17,
            -0.7637359356411362
          ],
          [
            -5.850546397514004e-16,
            -5.718923875545284e-16,
            -0.9243836562625881
          ],
          [
            -1.6867788231323555e-16,
            -1.6569796460489348e-16,
            -1.0829032148245161
          ]
        ],
        "berry_integer_shifts": [
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ],
          [
            0,
            0,
            0
          ]
        ],
        "folded_reduced_polarization": [
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.08290321482451768
          ],
          [
            -5.551115123125783e-16,
            -4.996003610813204e-16,
            -0.07561634373740933
          ],
          [
            0.0,
            0.0,
            -0.23626406435886382
          ],
          [
            -7.216449660063518e-16,
            -7.771561172376096e-16,
            -0.39057682213275413
          ],
          [
            -4.440892098500626e-16,
            -4.440892098500626e-16,
            0.46720467334546867
          ],
          [
            1.1102230246251565e-16,
            1.1102230246251565e-16,
            0.338653101539784
          ],
          [
            2.220446049250313e-16,
            2.220446049250313e-16,
            0.2211101646800543
          ],
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            0.10960083791069297
          ],
          [
            -4.996003610813204e-16,
            -4.996003610813204e-16,
            0.0
          ],
          [
            -1.6653345369377348e-16,
            -2.220446049250313e-16,
            -0.10960083791069292
          ],
          [
            1.1102230246251565e-16,
            1.1102230246251565e-16,
            -0.2211101646800504
          ],
          [
            2.220446049250313e-16,
            2.220446049250313e-16,
            -0.33865310153978484
          ],
          [
            -4.440892098500626e-16,
            -4.440892098500626e-16,
            -0.46720467334546917
          ],
          [
            -1.2212453270876722e-15,
            -1.2212453270876722e-15,
            0.39057682213275347
          ],
          [
            0.0,
            0.0,
            0.23626406435886382
          ],
          [
            -6.106226635438361e-16,
            -5.551115123125783e-16,
            0.07561634373741188
          ],
          [
            -1.6653345369377348e-16,
            -1.6653345369377348e-16,
            -0.08290321482451612
          ]
        ]
      },
      "incoming_structure_ids": [
        "incoming_00_000",
        "incoming_00_001",
        "incoming_00_002",
        "incoming_00_003",
        "incoming_00_004",
        "incoming_00_005",
        "incoming_00_006",
        "incoming_00_007",
        "incoming_00_008"
      ],
      "reflected_structure_ids": [
        "reflected_00_001",
        "reflected_00_002",
        "reflected_00_003",
        "reflected_00_004",
        "reflected_00_005",
        "reflected_00_006",
        "reflected_00_007",
        "reflected_00_008"
      ],
      "positive_extension_structure_ids": [
        "extension_plus_00_000",
        "extension_plus_00_001",
        "extension_plus_00_002",
        "extension_plus_00_003"
      ],
      "negative_extension_structure_ids": [
        "extension_minus_00_000",
        "extension_minus_00_001",
        "extension_minus_00_002",
        "extension_minus_00_003"
      ],
      "extension": {
        "enabled": true,
        "fraction_beyond_polar_endpoint": 0.35,
        "images_per_side": 4,
        "construction": "continue fractional atomic displacements and symmetric log strain beyond +P; reflect these structures about N for the -P side",
        "positive_path_coordinates": [
          1.35,
          1.2625,
          1.175,
          1.0875
        ],
        "negative_path_coordinates": [
          -1.0875,
          -1.175,
          -1.2625,
          -1.35
        ]
      },
      "branch_coordinates": [
        1.35,
        1.2625,
        1.175,
        1.0875,
        1.0,
        0.875,
        0.75,
        0.625,
        0.5,
        0.375,
        0.25,
        0.125,
        0.0,
        -0.125,
        -0.25,
        -0.375,
        -0.5,
        -0.625,
        -0.75,
        -0.875,
        -1.0,
        -1.0875,
        -1.175,
        -1.2625,
        -1.35
      ],
      "parent": {
        "candidate_id": "inversion_parent_endpoint_00",
        "source": "same_species_inversion_center_projection_from_endpoint",
        "spacegroup": "P4/mmm",
        "spacegroup_number": 123,
        "pointgroup": "4/mmm",
        "has_inversion": true,
        "is_polar_point_group": false,
        "nonpolar_parent_hypothesis": true,
        "symmetry_tolerance_A": null,
        "target_reduced_polarization": [
          0.0,
          0.0,
          0.0
        ],
        "formal_class": [
          0.0,
          0.0,
          0.0
        ],
        "target_residual": 1.4248485667065923e-17,
        "parent_symmetrization_rmsd_A": 0.40108522079167425,
        "parent_cell_rmsd_A": 0.0,
        "energy_eV": -36.01106434881402,
        "reduced_polarization": [
          -3.4549804401703908e-18,
          -7.407584587668856e-18,
          -1.1670910184692276e-17
        ],
        "cartesian_polarization_e_A2": [
          -1.9428145888083228e-19,
          -4.1654543792569154e-19,
          -7.789620091399685e-19
        ],
        "ranking_score": 0.4010852207916743
      }
    }
  ],
  "path_sampling": {
    "num_images": 17,
    "images_per_leg_including_parent": 9,
    "extension_fraction_beyond_polar_endpoint": 0.35,
    "extension_images_per_side": 4,
    "total_images_per_sampled_branch": 25,
    "construction": "linear polar-to-parent interpolation plus parent-reflected second leg and symmetric log-strain continuation beyond both polar endpoints"
  },
  "branch_folding": "componentwise integer unwrap with per-image shifts, then reduced-coordinate fold [-0.5, 0.5)",
  "bec_backprojection_settings": {
    "variable_cell": true,
    "max_strain_step_log_component": 0.02,
    "strain_response_refresh_iterations": 4,
    "cell_principal_stretch_bounds": [
      0.85,
      1.15
    ],
    "cell_volume_ratio_bounds": [
      0.7,
      1.3
    ],
    "strain_jacobian": "branch-matched finite differences of reduced polarization in six symmetric log-strain coordinates at fixed fractional positions"
  },
  "model_input_contract": "one polar endpoint structure; no reference parent or path frame",
  "run": {
    "model_file": "MACEField-MH-0-omat-dielectric.model",
    "model_sha256": "f92e043aaf2cd8879919db8452503553fe7b608cb749d8d169dd96d4aa094aa2",
    "model_head": "mp-ferroelectric",
    "device": "cpu",
    "dtype": "float64",
    "num_images": 17,
    "compute_becs_for_every_image": true,
    "compute_polarizability_for_every_image": true,
    "initial_structure_relaxation": {
      "enabled": false
    },
    "model_evaluations_for_recovery": {
      "total": 66,
      "full_response": 20,
      "energy_polarization": 46
    },
    "model_evaluations_for_recovery_and_path_properties": {
      "total": 91,
      "full_response": 45,
      "energy_polarization": 46
    },
    "elapsed_seconds": 73.54009456199128
  }
}
